| CAS Number | 1423161-84-5 |
| Catalog Number | AG00HWH9(AGN-PC-0WD7CE) |
| Chemical Name | 3-Bromo-1-methyl-1H-indole-6-sulfonyl chloride |
| IUPAC Name | 3-bromo-1-methylindole-6-sulfonyl chloride |
| InChI | InChI=1S/C9H7BrClNO2S/c1-12-5-8(10)7-3-2-6(4-9(7)12)15(11,13)14/h2-5H,1H3 |
| InChI Key | TUFMAZRBDPPFDG-UHFFFAOYSA-N |
| MDL Number | MFCD27987767 |
| Molecular Formula | C9H7BrClNO2S |
| Molecular Weight | 308.5794 |
| SMILES | CN1C2=C(C=CC(S(Cl)(=O)=O)=C2)C(Br)=C1 |
| Synonyms | 1423161-84-5,
3-Bromo-1-methyl-1H-indole-6-sulfonyl chloride,
3-bromo-1-methyl-1H-indole-6-sulfonylchloride,
1H-Indole-6-sulfonyl chloride, 3-bromo-1-methyl-,
SCHEMBL14698881,
TUFMAZRBDPPFDG-UHFFFAOYSA-N,
MFCD27987767,
ZINC224778293,
SB15103,
AS-36642,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.907g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.574g/mol |
| Monoisotopic Mass | 306.907g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number